CID 83828889

13316-13-7

Structural Information

Molecular Formula

C₆H₄ClN₃S

SMILES

CC1=C2C(=NC(=N1)Cl)SC=N2

InChI

InChI=1S/C6H4ClN3S/c1-3-4-5(11-2-8-4)10-6(7)9-3/h2H,1H3

InChIKey

RQLRQLRJVGGLEX-UHFFFAOYSA-N

Compound name

5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.98145 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.988726	130.9
[M+Na]+	207.970668	145.4
[M-H]-	183.974174	133.1
[M+NH4]+	203.015273	152.0
[M+K]+	223.944608	140.9
[M+H-H2O]+	167.978710	125.1
[M+HCOO]-	229.979651	145.0
[M+CH3COO]-	243.995301	145.8
[M+Na-2H]-	205.956116	136.6
[M]+	184.98090142	137.1
[M]-	184.98199858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe